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N,N,2-Trimethyl-5-nitrobenzenesulfonamide

N,N,2-Trimethyl-5-nitrobenzenesulfonamide structure

CAS No:
433695-36-4
Formula:
C9H12N2O4S
Chemical Name:
N,N,2-Trimethyl-5-nitrobenzenesulfonamide
Synonyms:
Benzenesulfonamide,N,N,2-trimethyl-5-nitro-;N,N,2-Trimethyl-5-nitrobenzenesulfonamide;BRL 50481
Categories:
Organic Chemistry > Nitro Compounds

Description

BRL-50481 is a C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). It has a role as an EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor, a geroprotector and a bone density conservation agent. It is a sulfonamide, a C-nitro compound and a member of toluenes.

N,N,2-Trimethyl-5-nitrobenzenesulfonamide Basic Attributes

Molecular Weight：

244.27

Exact Mass：

244.27

EC Number：

1592732-453-0

UNII：

03G869PR3P

DSSTox ID：

DTXSID30195832

Characteristics

Density：

1.334±0.06 g/cm3

Melting Point：

65-67°C

Boiling Point：

391.1±52.0 °C(Predicted)

PKA：

-5?+-.0.70

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzene

N,N,2-Trimethyl-5-nitrobenzenesulfonamide Use and Manufacturing

A PDE7 inhibitor that has acceptable selectivity for in vivo studies

Computed Properties

Molecular Weight:244.27
XLogP3:1.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:244.05177804
Monoisotopic Mass:244.05177804
Topological Polar Surface Area:91.6
Heavy Atom Count:16
Complexity:355
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 433695-36-4

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CAS No.: 433695-36-4

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Guide of N,N,2-Trimethyl-5-nitrobenzenesulfonamide

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Basic Attributes
Characteristics
Safety Information
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Use and Manufacturing
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